@TOME V2.3
(Nov 2016)
Ref.
-
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : Lmo0489: (2016-03-16 )
MTDYPSIFEPLTVKRMTIKNRVIMPPMGTNLAGLNGEFLEEHMNYYEQRAKGGTGLITIENACVDFPYGTNGTTQLRIDNDQYIPGFYKLTERLHKHGTCVSIQINHAGASAYPARLNGLQPVSASDIPSKKGGTVPRPLTVEEIYEIVNKYGDAARRAQQAGFDAVEIHGGHSYLLCQFLSPLYNKRTDEFGGTPENRARIVKLILEKVRAEVGPFFPIVLRFSADEFTEGGNHLEDILELLDYCQEEADILNVSAAINDNLYLQIDQMNLEDGWRSYLAKAVKDKFNKPTITSGNIRSPKAAEKILSEGYADLLAMGRGLIAEPNWVNKVATGQEDMLRKCISCNIGCADHRISKSKPIRCTVNPDIIHEDKYKETKVTRPTNVVVIGGGTAGLEAACTAAEVGCNTTLIEANEQTGGLARAIANLPDKSRIADFPNYLANRAEKLTNLKVITGTKADTALIDTFNPDVVVNATGSKPLLPPIKGLLDVIDKEGSKVHSIFGLISNIDDFTEFSNKKVAVIGGGAVGLDVVEYFSERGSDVTIVEMMPLLGKDLDMITRLSMMDIIEKNHVDVQTETALTEVAADHFKVKHDGVDAEIPFDYGFVCLGMRPERPLMEELAAYGKEKQIEIVNIGDSAATRKILEGVREGRNILTTLEKIGSL
Atome Classification :
(22 SA)
-.........10........20........30..-..-....40...-.....50........60.....-.-..70..-.......80........90........100.......110...-...--.120.......130------------.---.-.....---..140.......150.......160.......170...-.-...180.......190.......200.......210..-.....220.......230...-----..-...240......-.-250..--..--....260...-....270...--....280.......290.......300.......310.......320.......330.......340.......350.......360.......-------370..---.-----...----.----380....--....390.......400.......410.......420.......430.......440......----.450....-...460-.......470.......480--------......--.490...-.--....500.......510.......520....--.--..530.......540..--------------------------------------.....550.......-560........570.......580.......590---.-----------------......600.......610.......620..--.--.-...630..-.....640.--......650.......660..--------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MTDYPSIFEP
L
T
V
K
R
M
T
IKN
R
V
IMPPMGTNLAG-L
N
-
G
E
F
L
E
E
H
M
N
-
Y
Y
E
Q
R
AKGG
T
G
L
I
T
I
EN
A
C
VDF-P-YGT-NG-
T
T
Q
L
R
IDNDQYI
P
G
F
Y
K
L
T
E
R
L
H
KHG
T
C
V
S
I
Q
I
NHAGASAYPA-RLN--GLQPVSASDIPS--------------K---K-GGTVP---RPL
T
V
E
E
I
Y
E
I
V
N
KY
G
D
A
A
R
R
A
Q
Q
AGF
D
A
V
E
IHGG
H
S
Y
-
L
-
L
C
Q
F
L
S
P
L
Y
NKRTDEFGGT
P
E
N
R
A
R
I
V
K
L
I
L
E
K
V
R
A
EV-GP
F
F
P
I
V
L
R
FS
A
D
EFT-EGG
N
-----
H
L
-
E
D
I
L
E
L
L
D
Y
C
Q
E
-E-A-
D
I
L
--
N
V
--
S
A
AIND
N
L
Y
L
-
Q
I
DQM
N
L
E
D
G
--
W
R
S
Y
L
A
K
A
V
K
DKFNKPTITSGNIRS
P
K
A
A
E
K
I
L
S
E
G
Y
A
D
L
L
A
MGRGLIAEP
N
W
V
N
KVAT
G
Q
E
D
M
L
R
K
C
I
SCNIGCADHRISKSK
P
I
R
C
TVNPDI-------IHEDK---Y-----KET----K----VT-RP
T
N
--
V
V
V
IGGGTA
G
L
E
A
A
C
T
A
A
EVGCN
T
T
L
I
EANEQTG
G
L
A
R
A
I
ANLP
D
K
S
R
I
A
D
F
P
N
Y
L
A
N
R
A
E
K
L----TN
L
K
V
I
TG-TKA
D
T
A
-
L
I
DTFNP
D
V
V
V
NATGSKPLL--------
P
P
I
K
G
L
--
L
D
V
-
I
DK-E--G
S
K
V
H
S
I
F
G
L
I
SN
I
D
D
F
T
EFSN
K
K
V
A
V
IGGG--A--
V
G
L
D
V
V
E
Y
F
S
ERGS
D
V
T
--------------------------------------
I
V
E
M
M
P
L
LGK
D
L
D
M
I
-
T
-
R
L
S
M
M
D
I
I
EKNHVDVQ
T
E
T
A
L
T
E
V
A
A
D
H
F
K
V
K---H-----------------DGVDAEIPFDY
G
F
V
C
LGMRPER
P
L
M
E
E
L
A
AY--G--K-E
K
Q
I
E
I
V
N-IG
D
S
A
A
T
R
K
--
I
L
E
G
V
RE
G
R
N
I
L
T
T
L
E
K
IGSL--------------
126
Fugue
90.71
27%
-72
- C4 -
1PS9
8
FADH_ECOLI
A:
[1-671]
---
S
Y
P
S
L
F
A
P
L
D
L
G
F
T
T
L
K
N
R
V
L
M
G
S
M
H
T
G
L
E
E
--
Y
-
P
D
G
A
E
R
L
A
A
-
F
Y
A
E
R
A
R
H
G
V
A
L
I
V
S
G
G
I
A
P
D
--
L
-
T
G
V
-
G
M
-
E
G
G
A
M
L
N
D
A
S
Q
I
P
H
H
R
T
I
T
E
A
V
H
Q
E
G
G
K
I
A
L
Q
I
L
H
T
G
R
Y
S
Y
Q
P
--------
H
L
V
A
P
S
A
L
Q
A
--------------
P
---
I
-
N
R
F
V
P
---
H
E
L
S
H
E
E
I
L
Q
L
I
D
N
F
A
R
C
A
Q
L
A
R
E
A
G
Y
D
G
V
E
V
M
G
S
E
G
Y
-
L
-
I
N
E
F
L
T
L
R
T
N
Q
R
S
D
Q
W
G
G
D
Y
R
N
R
M
R
F
A
V
E
V
V
R
A
V
R
E
R
V
-
G
N
D
F
I
I
I
Y
R
L
S
M
L
D
L
V
-
E
D
G
G
-----
T
F
-
A
E
T
V
E
L
A
Q
A
I
E
A
A
G
-
A
-
T
I
I
--
N
T
--
G
I
G
W
H
E
A
R
I
P
-
T
I
-
A
T
P
V
P
R
G
--
A
F
S
W
V
T
R
K
L
K
G
H
V
S
L
P
L
V
T
T
N
R
I
N
D
P
Q
V
A
D
D
I
L
S
R
G
D
A
D
M
V
S
M
A
R
P
F
L
A
D
A
E
L
L
S
K
A
Q
S
G
R
A
D
E
I
N
T
C
I
G
C
N
Q
A
C
L
D
Q
I
F
-
V
G
K
V
T
S
C
L
V
N
P
R
A
-------
C
H
E
T
K
---
M
-----
P
I
L
----
P
----
A
V
-
Q
K
K
N
--
L
A
V
V
G
A
G
P
A
G
L
A
F
A
I
N
A
A
A
R
G
H
Q
V
T
L
F
D
A
H
S
E
I
G
G
Q
F
N
I
A
K
Q
I
P
G
K
E
E
F
Y
E
T
L
R
Y
Y
R
R
M
I
E
V
T
-----
G
V
T
L
K
L
N
-
H
T
V
T
A
D
-
Q
L
Q
--
A
F
D
E
T
I
L
A
S
G
I
V
P
R
T
--------
P
P
I
D
G
---------
I
-
D
--
H
P
K
V
L
S
Y
L
D
V
L
R
D
K
A
P
V
----
G
N
K
V
A
I
I
G
C
G
--
G
--
I
G
F
D
T
A
M
Y
L
S
Q
P
G
E
S
T
S
QN
I
A
G
F
C
N
E
W
GIDSSLQQAGGLSPQ
G
M
Q
I
P
R
SPRQ
I
V
M
L
Q
R
K
A
S
K
P
G
Q
G
L
G
K
T
-
T
-
G
W
I
H
R
T
T
L
L
S
R
G
V
K
M
I
P
G
V
S
Y
Q
K
I
D
D
D
G
L
H
V
V
---
I
-----------------
N
G
E
T
Q
V
L
A
V
D
N
V
V
I
C
A
G
Q
E
P
N
R
A
L
A
Q
P
L
I
D
S
--
G
--
K
-
T
----
V
H
L
-
I
G
G
C
D
V
A
M
E
LD
A
R
R
A
I
A
Q
G
T
R
L
A
L
E
I
--------------------
102
HHSearch
90.45
25%
-74
- C4 -
1O94
3
DHTM_METME
A:
[3-699]
-
D
P
K
H
D
I
L
F
E
P
I
Q
I
G
P
K
T
L
R
N
R
F
Y
Q
V
P
H
C
I
G
A
G
S
--
D
-
K
--
P
G
F
Q
S
A
-
H
R
S
V
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
--
P
-
E
S
D
D
T
H
-
R
L
S
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
P
N
M
-
E
-
S
--
R
A
T
P
R
G
P
S
Q
Y
A
S
--------------
E
---
F
E
T
L
S
Y
C
---
K
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
S
Y
-
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
-
G
S
D
C
A
I
A
T
R
F
G
V
D
T
V
Y
G
P
G
Q
I
-----
E
A
E
V
D
G
Q
K
F
V
E
M
A
D
S
-
L
-
V
-
D
M
W
--
D
I
--
T
I
G
D
I
A
E
W
G
E
D
A
G
P
S
R
F
Y
Q
Q
G
--
H
T
I
P
W
V
K
L
V
K
Q
V
S
K
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
T
K
G
Y
A
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
-
C
I
S
R
W
E
I
G
G
P
P
M
I
C
T
Q
N
A
T
A
-------
G
E
E
Y
R
---
R
-----
G
W
H
PE
K
F
R
----
Q
T
K
N
K
D
S
--
V
L
I
V
G
A
G
P
S
G
S
E
A
A
R
V
L
M
E
S
G
Y
T
V
H
L
T
D
T
A
E
K
I
G
G
H
L
N
Q
V
A
A
L
P
G
L
G
E
W
S
Y
H
R
D
Y
R
E
T
Q
I
T
K
L
L
K
K
N
K
E
S
Q
L
A
L
G
Q
K
P
M
T
A
D
-
D
V
L
Q
Y
G
A
D
K
V
I
I
A
T
G
A
R
W
N
T
DGTNCLTH
D
P
I
P
G
A
----------
D
AS
L
P
D
Q
L
T
P
E
Q
V
M
D
G
----
K
K
K
I
G
K
R
V
V
I
L
N
A
D
TY
F
--
M
A
P
S
L
A
E
K
L
A
T
A
G
H
E
V
T
--------------------------------------
I
V
S
G
V
H
-
L
A
N
Y
M
H
F
T
L
E
-
Y
P
N
M
M
R
R
L
H
E
L
H
V
E
E
L
G
D
H
F
C
S
R
I
E
P
G
R
M
E
I
Y
N
IW
G
DGSKRTYRGPGVSPRDA
N
T
S
H
R
W
I
E
F
D
S
L
V
L
V
T
G
R
H
S
E
C
T
L
W
N
E
L
K
A
R
ES
E
WA
E
-
N
D
I
K
G
I
Y
L
-
I
G
D
A
E
A
P
R
L
--
I
A
D
A
T
F
T
G
H
R
V
A
R
E
I
E
E
A
N
----------------
127
Fugue
88.66
25%
-74
- C4 -
3K30
3
?
A:
[7-690]
V
A
A
P
Y
D
V
L
F
E
P
V
Q
I
G
P
F
T
T
K
N
R
F
Y
Q
V
P
H
C
N
---
G
-
M
G
-
Y
R
D
P
S
A
Q
A
S
-
M
R
K
I
K
A
E
G
G
W
S
A
V
C
T
E
Q
V
E
I
H
A
-
T
-
S
D
I
-
A
P
-
F
I
E
L
R
I
W
D
D
Q
D
L
P
A
L
K
R
I
A
D
A
I
H
E
G
G
G
L
A
G
I
E
L
A
H
N
G
M
N
A
-
P
N
-
Q
L
S
--
R
E
T
P
L
G
P
G
H
L
P
V
--------------
A
---
P
-
D
T
I
A
P
I
Q
A
R
A
M
T
K
Q
D
I
D
D
L
R
R
W
H
R
N
A
V
R
R
S
I
E
A
G
Y
D
I
V
Y
V
Y
G
A
H
G
Y
S
G
-
V
H
H
F
L
S
K
R
Y
N
Q
R
T
D
E
Y
G
G
S
L
E
N
R
M
R
L
L
R
E
L
L
E
D
T
L
D
E
C
-
A
G
R
A
A
V
A
C
R
I
T
V
E
E
E
I
-
D
G
G
I
-----
T
R
-
E
D
I
E
G
V
L
R
E
L
G
E
-
L
-
P
-
D
L
W
--
D
F
--
A
M
G
S
W
E
G
D
S
V
-
T
S
R
F
A
P
--
E
G
--
R
Q
E
E
F
V
A
G
L
K
K
L
T
T
K
P
V
V
G
V
G
R
F
T
S
P
D
A
M
V
R
Q
I
K
A
G
I
L
D
L
I
G
A
A
R
P
S
I
A
D
P
F
L
P
N
K
I
R
D
G
R
L
N
L
I
R
E
C
I
G
C
N
I
C
V
S
G
D
L
--
T
M
S
P
I
R
C
T
Q
N
P
S
M
-------
G
E
E
W
R
---
R
GWHPE
R
I
R
----
A
----
K
E
-
S
D
A
R
--
V
L
V
V
G
A
G
P
S
G
L
E
A
A
R
A
L
G
V
R
G
Y
D
V
V
L
A
E
A
G
R
D
L
G
G
R
V
T
Q
E
S
A
L
P
G
L
S
A
W
G
R
V
K
E
Y
R
E
A
V
L
A
E
L
----
P
N
V
E
I
Y
R
E
-
S
P
M
T
G
D
-
D
I
V
E
F
G
F
E
H
V
I
T
A
T
G
A
T
W
R
T
--------
D
G
V
A
R
F
HT
T
A
L
-
P
I
A
-
E
--
G
M
Q
V
L
G
P
D
D
L
F
A
G
----
R
L
P
D
G
K
K
V
V
V
Y
D
D
D
--
H
YY
L
G
G
V
V
A
E
L
L
A
Q
K
G
Y
E
V
S
--------------------------------------
I
V
T
P
G
A
Q
V
S
S
W
T
N
N
T
-
F
E
V
N
R
I
Q
R
R
L
I
E
N
G
V
A
R
V
T
D
H
A
V
V
A
V
G
A
G
G
V
T
V
R
D
T-
Y
-----------------
A
S
I
E
R
E
L
E
C
D
A
V
V
M
V
T
A
R
L
P
R
E
E
L
Y
L
D
L
V
A
R
--
R
--
D
-
A
G
E
I
A
S
V
R
G
I
G
D
A
W
A
P
G
T
--
I
A
A
A
V
W
S
G
R
R
A
A
E
E
F
D
A
V
L
P
S
NDEVP
F
R
R
E
V
T
QLA
101
HHSearch
87.97
25%
-72
- C4 -
3K30
3
?
A:
[9-674]
--
A
P
Y
D
V
L
F
E
P
V
Q
I
G
P
F
T
T
K
N
R
F
Y
Q
V
P
H
C
N
G
M
G
Y
-
R
D
----
P
S
A
Q
A
S
-
M
R
K
I
K
A
E
G
G
W
S
A
V
C
T
E
Q
V
E
I
H
--
A
-
T
S
D
-
I
A
P
F
I
E
L
R
I
W
D
D
Q
D
L
P
A
L
K
R
I
A
D
A
I
H
E
G
G
G
L
A
G
I
E
L
A
H
N
G
M
N
A
P
N
Q
-
L
-
S
--
R
E
T
P
L
G
P
G
H
L
P
V
--------------
A
PDT
I
-
A
P
I
Q
A
---
R
A
M
T
K
Q
D
I
D
D
L
R
R
W
H
R
N
A
V
R
R
S
I
E
A
G
Y
D
I
V
Y
V
Y
G
A
H
G
Y
-
S
G
V
H
H
F
L
S
K
R
Y
N
Q
R
T
D
E
Y
G
G
S
L
E
N
R
M
R
L
L
R
E
L
L
E
D
T
L
D
E
C
-
A
G
R
A
A
V
A
C
R
I
T
V
E
E
E
I
-
D
G
G
I
-----
T
R
-
E
D
I
E
G
V
L
R
E
L
G
E
-
L
-
P
-
D
L
W
--
D
F
--
A
M
G
S
W
E
G
D
S
---
V
T
S
R
F
A
P
E
G
--
R
Q
E
E
F
V
A
G
L
K
K
L
T
T
K
P
V
V
G
V
G
R
F
T
S
P
D
A
M
V
R
Q
I
K
A
G
I
L
D
L
I
G
A
A
R
P
S
I
A
D
P
F
L
P
N
K
I
R
D
G
R
L
N
L
I
R
E
C
I
G
C
N
-
I
C
V
S
G
-
D
L
T
M
S
P
I
R
C
T
Q
N
P
S
M
-------
G
E
E
W
R
---
R
-----
G
W
H
----
P
ERIR
A
K
E
S
D
A
R
--
V
L
V
V
G
A
G
P
S
G
L
E
A
A
R
A
L
G
V
R
G
Y
D
V
V
L
A
E
A
G
R
D
L
G
G
R
V
T
Q
E
S
A
L
P
G
L
S
A
W
G
R
V
K
E
Y
R
E
A
V
L
A
E
L
----
P
N
V
E
I
Y
R
E
-
S
P
M
T
G
D
-
D
I
V
E
F
G
F
E
H
V
I
T
A
T
G
A
T
W
R
T
--------
D
G
V
A
R
F
--
H
T
T
A
L
P
I
A
E
--
G
M
Q
V
L
G
P
D
D
L
F
A
G
----
R
L
P
D
G
K
K
V
V
V
Y
D
D
D
HY
Y
--
L
G
G
V
V
A
E
L
L
A
Q
K
G
Y
E
V
S
--------------------------------------
I
V
T
P
G
A
Q
V
S
S
W
T
N
N
T
F
E
-
V
N
R
I
Q
R
R
L
I
E
N
G
V
A
R
V
T
D
H
A
V
V
A
V
G
A
G
G
V
T
V
R
---
D
TY---------------
A
S
I
E
R
E
L
E
C
D
A
V
V
M
V
T
A
R
L
P
R
E
E
L
Y
L
D
L
V
A
R
--
R
--
D
A
G
E
I
A
S
V
R
G
-
I
G
D
A
W
A
P
G
T
--
I
A
A
A
V
W
S
G
R
R
A
A
E
E
F
D
A
V
L
----------------
1
PsiBlast_PDB
80.96
30%
-76
- C4 -
1PS9
8
FADH_ECOLI
A:
[2-521]
----
Y
P
S
L
F
A
P
L
D
L
G
F
T
T
L
K
N
R
V
L
M
G
S
M
H
T
G
L
E
E
-
Y
P
--
D
G
A
E
R
L
A
A
-
F
Y
A
E
R
A
R
H
G
V
A
L
I
V
S
G
G
I
A
P
D
L
-
T
G
V
G
M
-
E
G
-
G
A
M
L
--
N
D
A
S
Q
I
P
H
H
R
T
I
T
E
A
V
H
Q
E
G
G
K
I
A
L
Q
I
L
H
T
G
R
Y
S
Y
Q
P
-
H
L
-------
V
A
P
S
A
L
Q
A
--------------
P
---
I
-
N
R
F
V
P
---
H
E
L
S
H
E
E
I
L
Q
L
I
D
N
F
A
R
C
A
Q
L
A
R
E
A
G
Y
D
G
V
E
V
M
G
S
E
G
Y
-
L
-
I
N
E
F
L
T
L
R
T
N
Q
R
S
D
Q
W
G
G
D
Y
R
N
R
M
R
F
A
V
E
V
V
R
A
V
R
E
R
V
-
G
N
D
F
I
I
I
Y
R
L
S
M
L
D
L
V
-
E
D
G
G
-----
T
F
-
A
E
T
V
E
L
A
Q
A
I
E
A
-
A
G
A
-
T
I
I
--
N
T
--
G
I
G
W
H
E
A
R
I
P
-
T
I
-
A
T
P
V
P
R
G
--
A
F
S
W
V
T
R
K
L
K
G
H
V
S
L
P
L
V
T
T
N
R
I
N
D
P
Q
V
A
D
D
I
L
S
R
G
D
A
D
M
V
S
M
A
R
P
F
L
A
D
A
E
L
L
S
K
A
Q
S
G
R
A
D
E
I
N
T
C
I
G
C
N
Q
A
C
L
D
-
Q
I
F
V
G
K
V
T
S
C
L
V
N
P
R
A
-------
C
H
E
T
K
---
M
-----
P
I
L
----
P
----
A
V
-
Q
K
K
N
--
L
A
V
V
G
A
G
P
A
G
L
A
F
A
I
N
A
A
A
R
G
H
Q
V
T
L
F
D
A
H
S
E
I
G
G
Q
F
N
I
A
K
Q
I
P
G
K
E
E
F
Y
E
T
L
R
Y
Y
-
R
R
M
I
E
V
----
T
G
V
T
L
K
L
N
-
H
T
V
T
A
D
-
Q
L
Q
A
F
--
D
E
T
I
L
A
S
G
I
V
P
R
T
--------
P
P
I
D
G
I
----------
D
--
H
P
K
V
L
S
Y
L
D
V
L
R
---
D
K
A
P
V
G
N
-
K
V
A
I
I
G
C
G
--
G
--
I
G
F
D
T
A
M
Y
L
S
Q
P
G
E
S
T
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
72.84
28%
-63
- C4 -
2TMD
3
DHTM_METME
A:
[9-490]
-------
L
F
E
P
I
Q
I
G
P
K
T
L
R
N
R
F
Y
Q
V
P
H
C
I
G
A
G
S
-
D
K
-
P
G
F
Q
S
A
H
R
S
-
V
---
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
P
-
E
-
S
D
D
-
T
H
-
R
L
S
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
-
P
N
-
M
E
S
--
R
A
T
P
R
G
P
S
Q
Y
A
S
--------------
E
F--
E
-
T
L
S
Y
C
---
K
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
S
Y
-
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
-
G
S
D
C
A
I
A
T
R
F
G
V
D
T
V
Y
-
G
P
G
Q
IEAEV
D
G
-
Q
K
F
V
E
M
A
D
S
L
V
D
-
M
-
W
-
D
I
T
I
G
D
I
--
A
E
W
G
E
D
A
G
P
S
-
R
F
Y
Q
Q
G
H
T
I
P
--
W
----
V
K
L
V
K
Q
V
S
K
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
T
K
G
Y
A
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
-
C
I
S
R
W
E
I
G
G
P
P
M
I
C
T
Q
N
A
T
A
GEEYRRG
W
H
P
E
K
---
F
-----
R
Q
T
----
K
-------
N
K
D
S
--
V
L
I
V
G
A
G
P
S
G
S
E
A
A
R
V
L
M
E
S
G
Y
T
V
H
L
T
D
T
A
E
K
I
G
G
H
L
N
Q
V
A
A
L
P
G
L
G
E
W
S
Y
H
R
D
Y
R
E
T
Q
I
T
K
L
L
K
K
N
K
E
S
Q
L
A
L
G
-
Q
K
P
M
T
A
D
D
V
L
Q
Y
G
A
D
K
V
I
I
A
T
G
A
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
72.70
27%
-68
- C4 -
3K30
3
?
A:
[11-486]
----
Y
D
V
L
F
E
P
V
Q
I
G
P
F
T
T
K
N
R
F
Y
Q
V
P
---
H
C
N
G
-
M
G
-
Y
R
D
P
S
A
Q
A
S
-
M
R
K
I
K
A
E
G
G
W
S
A
V
C
T
E
Q
V
E
I
H
A
-
T
-
S
D
I
-
A
P
-
F
I
E
L
R
I
W
D
D
Q
D
L
P
A
L
K
R
I
A
D
A
I
H
E
G
G
G
L
A
G
I
E
L
A
H
N
G
M
N
A
-
P
N
-
Q
L
S
--
R
E
T
P
L
G
P
G
H
L
P
V
--------------
A
---
P
-
D
T
I
A
P
I
Q
A
R
A
M
T
K
Q
D
I
D
D
L
R
R
W
H
R
N
A
V
R
R
S
I
E
A
G
Y
D
I
V
Y
V
Y
G
A
H
G
Y
-
S
G
V
H
H
F
L
S
K
R
Y
N
Q
R
T
D
E
Y
G
G
S
L
E
N
R
M
R
L
L
R
E
L
L
E
D
T
L
D
E
C
-
A
G
R
A
A
V
A
C
R
I
T
V
E
E
E
I
-
D
G
G
I
-----
T
R
-
E
D
I
E
G
V
L
R
E
L
G
E
-
L
-
P
-
D
L
W
--
D
F
----
A
M
G
S
W
E
G
D
-
S
V
T
S
R
F
A
P
E
G
--
R
Q
E
E
F
V
A
G
L
K
K
L
T
T
K
P
V
V
G
V
G
R
F
T
S
P
D
A
M
V
R
Q
I
K
A
G
I
L
D
L
I
G
A
A
R
P
S
I
A
D
P
F
L
P
N
K
I
R
D
G
R
L
N
L
I
R
E
C
I
G
C
N
I
-
C
V
S
G
D
L
T
M
S
-
P
I
R
C
T
Q
N
P
S
M
-------
G
E
E
W
R
RGW
H
-----
P
E
R
----
I
----
R
A
-
K
E
S
D
A
R
V
L
V
V
G
A
G
P
S
G
L
E
A
A
R
A
L
G
V
R
G
Y
D
V
V
L
A
E
A
G
R
D
L
G
G
R
V
T
Q
E
S
A
L
P
G
L
S
A
W
G
R
V
K
E
Y
R
E
A
V
L
A
E
L
----
P
N
V
E
I
Y
R
E
-
S
P
M
T
G
D
-
D
I
V
E
F
G
F
E
H
V
I
T
A
T
G
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
72.65
28%
-63
- C4 -
1DJQ
3
DHTM_METME
A:
[9-490]
-------
L
F
E
P
I
Q
I
G
P
K
T
L
R
N
R
F
Y
Q
V
P
H
A
I
G
A
G
S
-
D
K
-
P
G
F
Q
S
A
H
R
S
-
V
---
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
P
-
E
-
S
D
D
-
T
H
-
R
L
S
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
-
P
N
-
M
E
S
--
R
A
T
P
R
G
P
S
Q
Y
A
S
--------------
E
F--
E
-
T
L
S
Y
C
---
K
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
S
Y
-
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
-
G
S
D
C
A
I
A
T
R
F
G
V
D
T
V
Y
-
G
P
G
Q
IEAEV
D
G
-
Q
K
F
V
E
M
A
D
S
L
V
D
-
M
-
W
-
D
I
T
I
G
D
I
--
A
E
W
G
E
D
A
G
P
S
-
R
F
Y
Q
Q
G
H
T
I
P
--
W
----
V
K
L
V
K
Q
V
S
K
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
T
K
G
Y
A
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
-
C
I
S
R
W
E
I
G
G
P
P
M
I
C
T
Q
N
A
T
A
GEEYRRG
W
H
P
E
K
---
F
-----
R
Q
T
----
K
-------
N
K
D
S
--
V
L
I
V
G
A
G
P
S
G
S
E
A
A
R
V
L
M
E
S
G
Y
T
V
H
L
T
D
T
A
E
K
I
G
G
H
L
N
Q
V
A
A
L
P
G
L
G
E
W
S
Y
H
R
D
Y
R
E
T
Q
I
T
K
L
L
K
K
N
K
E
S
Q
L
A
L
G
-
Q
K
P
M
T
A
D
D
V
L
Q
Y
G
A
D
K
V
I
I
A
T
G
A
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
72.55
28%
-64
- C4 -
1O94
3
DHTM_METME
A:
[9-490]
-------
L
F
E
P
I
Q
I
G
P
K
T
L
R
N
R
F
Y
Q
V
P
H
C
I
G
A
G
S
-
D
K
-
P
G
F
Q
S
A
H
R
S
-
V
---
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
P
-
E
-
S
D
D
-
T
H
-
R
L
S
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
-
P
N
-
M
E
S
--
R
A
T
P
R
G
P
S
Q
Y
A
S
--------------
E
F--
E
-
T
L
S
Y
C
---
K
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
S
Y
-
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
-
G
S
D
C
A
I
A
T
R
F
G
V
D
T
V
Y
-
G
P
G
Q
IEAEV
D
G
-
Q
K
F
V
E
M
A
D
S
L
V
D
-
M
-
W
-
D
I
T
I
G
D
I
--
A
E
W
G
E
D
A
G
P
S
-
R
F
Y
Q
Q
G
H
T
I
P
--
W
----
V
K
L
V
K
Q
V
S
K
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
T
K
G
Y
A
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
-
C
I
S
R
W
E
I
G
G
P
P
M
I
C
T
Q
N
A
T
A
GEEYRRG
W
H
P
E
K
---
F
-----
R
Q
T
----
K
-------
N
K
D
S
--
V
L
I
V
G
A
G
P
S
G
S
E
A
A
R
V
L
M
E
S
G
Y
T
V
H
L
T
D
T
A
E
K
I
G
G
H
L
N
Q
V
A
A
L
P
G
L
G
E
W
S
Y
H
R
D
Y
R
E
T
Q
I
T
K
L
L
K
K
N
K
E
S
Q
L
A
L
G
-
Q
K
P
M
T
A
D
D
V
L
Q
Y
G
A
D
K
V
I
I
A
T
G
A
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
71.73
33%
-83
- C4 -
1Z41
4
NAMA_BACSU
A:
[5-321]
-------
L
F
T
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
-
G
K
L
T
P
F
H
M
A
-
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
--
P
-
Q
G
R
-
I
T
-
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
V
K
E
Q
G
S
K
I
G
I
Q
L
A
H
A
G
R
K
A
----
E
L
E
--
G
-
D
I
F
A
P
S
A
I
A
F
--------------
D
---
E
-
Q
S
A
T
P
---
V
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
---
V
R
V
S
A
S
D
Y
T
-
D
K
G
L
-----
D
I
-
A
D
H
I
G
F
A
K
W
M
K
E
-
Q
-
G
V
D
L
I
--
D
C
--
S
S
G
A
-----
L
-
V
H
A
D
I
N
V
F
P
G
--
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
L
R
D
P
F
F
A
R
T
A
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
71.70
33%
-85
- C4 -
1Z44
5
NAMA_BACSU
A:
[5-321]
-------
L
F
T
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
-
G
K
L
T
P
F
H
M
A
-
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
--
P
-
Q
G
R
-
I
T
-
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
V
K
E
Q
G
S
K
I
G
I
Q
L
A
H
A
G
R
K
A
----
E
L
E
--
G
-
D
I
F
A
P
S
A
I
A
F
--------------
D
---
E
-
Q
S
A
T
P
---
V
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
---
V
R
V
S
A
S
D
Y
T
-
D
K
G
L
-----
D
I
-
A
D
H
I
G
F
A
K
W
M
K
E
-
Q
-
G
V
D
L
I
--
D
C
--
S
S
G
A
-----
L
-
V
H
A
D
I
N
V
F
P
G
--
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
L
R
D
P
F
F
A
R
T
A
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
71.31
37%
-88
- C4 -
3KRZ
2
?
B:
[7-326]
----------
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
-
Y
E
D
VV
G
P
S
P
I
K
A
G
D
-----------------------
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
----
G
L
L
-
N
V
D
-
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
71.30
28%
-62
- C4 -
1DJN
3
DHTM_METME
A:
[9-490]
-------
L
F
E
P
I
Q
I
G
P
K
T
L
R
N
R
F
Y
Q
V
P
H
C
I
G
A
G
S
-
D
K
-
P
G
F
Q
S
A
H
R
S
-
V
---
K
A
E
G
G
W
A
A
L
N
T
E
Y
C
S
I
N
P
-
E
-
S
D
D
-
T
H
-
R
L
S
A
R
I
W
D
E
G
D
V
R
N
L
K
A
M
T
D
E
V
H
K
Y
G
A
L
A
G
V
E
L
W
Y
G
G
A
H
A
-
P
N
-
M
E
S
--
R
A
T
P
R
G
P
S
Q
Y
A
S
--------------
E
F--
E
-
T
L
S
Y
C
---
K
E
M
D
L
S
D
I
A
Q
V
Q
Q
F
Y
V
D
A
A
K
R
S
R
D
A
G
F
D
I
V
Y
V
Y
G
A
H
S
Y
-
L
-
P
L
Q
F
L
N
P
Y
Y
N
K
R
T
D
K
Y
G
G
S
L
E
N
R
A
R
F
W
L
E
T
L
E
K
V
K
H
A
V
-
G
S
D
C
A
I
A
T
R
F
G
V
D
T
V
Y
-
G
P
G
Q
IEAEV
D
G
-
Q
K
F
V
E
M
A
D
S
L
V
D
-
M
-
W
-
D
I
T
I
G
D
I
--
A
E
W
G
E
D
A
G
P
S
-
R
F
Y
Q
Q
G
H
T
I
P
--
W
----
V
K
L
V
K
Q
V
S
K
K
P
V
L
G
V
G
R
Y
T
D
P
E
K
M
I
E
I
V
T
K
G
Y
A
D
I
I
G
C
A
R
P
S
I
A
D
P
F
L
P
Q
K
V
E
Q
G
R
Y
D
D
I
R
V
C
I
G
C
N
V
-
C
I
S
R
W
E
I
G
G
P
P
M
I
C
T
Q
N
A
T
A
GEEYRRG
W
H
P
E
K
---
F
-----
R
Q
T
----
K
-------
N
K
D
S
--
V
L
I
V
G
A
G
P
S
G
S
E
A
A
R
V
L
M
E
S
G
Y
T
V
H
L
T
D
T
A
E
K
I
G
G
H
L
N
Q
V
A
A
L
P
G
L
G
E
W
S
Y
H
R
D
Y
R
E
T
Q
I
T
K
L
L
K
K
N
K
E
S
Q
L
A
L
G
-
Q
K
P
M
T
A
D
D
V
L
Q
Y
G
A
D
K
V
I
I
A
T
G
A
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
71.12
33%
-82
- C4 -
1Z42
4
NAMA_BACSU
A:
[5-321]
-------
L
F
T
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
-
G
K
L
T
P
F
H
M
A
-
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
--
P
-
Q
G
R
-
I
T
-
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
V
K
E
Q
G
S
K
I
G
I
Q
L
A
H
A
G
R
K
A
----
E
L
E
--
G
-
D
I
F
A
P
S
A
I
A
F
--------------
D
---
E
-
Q
S
A
T
P
---
V
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
---
V
R
V
S
A
S
D
Y
T
-
D
K
G
L
-----
D
I
-
A
D
H
I
G
F
A
K
W
M
K
E
-
Q
-
G
V
D
L
I
--
D
C
--
S
S
G
A
-----
L
-
V
H
A
D
I
N
V
F
P
G
--
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
L
R
D
P
F
F
A
R
T
A
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
107
HHSearch
70.74
37%
-78
- C4 -
3KRU
2
?
A:
[2-325]
-----
S
I
L
H
M
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
------
Y
E
D
V
V
G
P
S
P
I
K
A
--------------
G
---
D
-
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
G
L
L
N
V
D
------
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
70.56
37%
-87
- C4 -
3KRU
2
?
C:
[7-326]
----------
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
-
Y
E
D
VV
G
P
S
P
I
K
A
G
D
-----------------------
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
----
G
L
L
-
N
V
D
-
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
70.48
33%
-81
- C4 -
1Z48
1
NAMA_BACSU
A:
[5-321]
-------
L
F
T
P
I
T
I
K
D
M
T
L
K
N
R
I
V
M
S
P
M
C
M
Y
S
S
H
E
K
D
-
G
K
L
T
P
F
H
M
A
-
H
Y
I
S
R
A
I
G
Q
V
G
L
I
I
V
E
A
S
A
V
N
--
P
-
Q
G
R
-
I
T
-
D
Q
D
L
G
I
W
S
D
E
H
I
E
G
F
A
K
L
T
E
Q
V
K
E
Q
G
S
K
I
G
I
Q
L
A
H
A
G
R
K
A
----
E
L
E
--
G
-
D
I
F
A
P
S
A
I
A
F
--------------
D
---
E
-
Q
S
A
T
P
---
V
E
M
S
A
E
K
V
K
E
T
V
Q
E
F
K
Q
A
A
A
R
A
K
E
A
G
F
D
V
I
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
H
R
T
D
E
Y
G
G
S
P
E
N
R
Y
R
F
L
R
E
I
I
D
E
V
K
Q
V
W
D
G
P
L
F
---
V
R
V
S
A
S
D
Y
T
-
D
K
G
L
-----
D
I
-
A
D
H
I
G
F
A
K
W
M
K
E
-
Q
-
G
V
D
L
I
--
D
C
--
S
S
G
A
-----
L
-
V
H
A
D
I
N
V
F
P
G
--
Y
Q
V
S
F
A
E
K
I
R
E
Q
A
D
M
A
T
G
A
V
G
M
I
T
D
G
S
M
A
E
E
I
L
Q
N
G
R
A
D
L
I
F
I
G
R
E
L
L
R
D
P
F
F
A
R
T
A
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
70.25
37%
-85
- C4 -
3KRZ
2
?
C:
[7-326]
----------
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
-
Y
E
D
VV
G
P
S
P
I
K
A
G
D
-----------------------
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
----
G
L
L
-
N
V
D
-
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
70.25
37%
-85
- C4 -
3KRZ
2
?
A:
[7-326]
----------
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
-
Y
E
D
VV
G
P
S
P
I
K
A
G
D
-----------------------
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
----
G
L
L
-
N
V
D
-
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
70.14
37%
-85
- C4 -
3KRU
2
?
D:
[7-326]
----------
P
L
K
I
K
D
I
T
I
K
N
R
I
M
M
S
P
M
C
M
Y
S
A
S
-
T
D
-
G
M
P
N
D
W
H
I
V
-
H
Y
A
T
R
A
I
G
G
V
G
L
I
M
Q
E
A
T
A
V
E
--
S
-
R
G
R
-
I
T
-
D
H
D
L
G
I
W
N
D
E
Q
V
K
E
L
K
K
I
V
D
I
C
K
A
N
G
A
V
M
G
I
Q
L
A
H
A
G
R
K
C
N
I
S
-
Y
E
D
VV
G
P
S
P
I
K
A
G
D
-----------------------
R
Y
K
L
P
---
R
E
L
S
V
E
E
I
K
S
I
V
K
A
F
G
E
A
A
K
R
A
N
L
A
G
Y
D
V
V
E
I
H
A
A
H
G
Y
-
L
-
I
H
E
F
L
S
P
L
S
N
K
R
K
D
E
Y
G
N
S
I
E
N
R
A
R
F
L
I
E
V
I
D
E
V
R
K
N
W
-
P
E
N
K
P
I
F
V
R
V
S
A
D
D
Y
M
-
E
G
G
I
-----
N
I
-
D
M
M
V
E
Y
I
N
M
I
K
D
-
K
-
V
-
D
L
I
--
D
V
--
S
S
G
----
G
L
L
-
N
V
D
-
I
N
L
Y
P
G
--
Y
Q
V
K
Y
A
E
T
I
K
K
R
C
N
I
K
T
S
A
V
G
L
I
T
T
Q
E
L
A
E
E
I
L
S
N
E
R
A
D
L
V
A
L
G
R
E
L
L
R
N
P
Y
W
V
L
H
T
Y
T
S
K
E
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
54.22
31%
-53
- C4 -
3KFT
3
?
A:
[5-336]
-------
L
F
T
P
L
K
V
G
A
V
T
A
P
N
R
V
F
M
A
P
L
-
T
R
L
R
S
-
I
E
P
G
D
I
P
T
P
L
M
G
E
Y
Y
R
Q
R
A
S
--
A
G
L
I
I
S
E
A
T
Q
I
S
A
Q
A
-
K
G
Y
-
A
G
-
A
P
G
L
H
--
S
P
E
Q
I
A
A
W
K
K
I
T
A
G
V
H
A
E
D
G
R
I
A
V
Q
L
W
H
T
G
R
I
S
H
S
S
I
Q
P
G
--
G
Q
A
P
V
S
A
S
A
L
N
A
N
T
R
T
S
L
R
D
ENG
N
A
I
R
---
V
-
D
T
T
T
P
---
R
A
L
E
L
D
E
I
P
G
I
V
N
D
F
R
Q
A
V
A
N
A
R
E
A
G
F
D
L
V
E
L
H
S
A
H
G
Y
-
L
-
L
H
Q
F
L
S
P
S
S
N
Q
R
T
D
Q
Y
G
G
S
V
E
N
R
A
R
L
V
L
E
V
V
D
A
V
C
N
E
-----------
W
S
A
D
R
I
G
-
I
R
V
S
-----
P
I
-
G
T
F
Q
N
V
D
N
G
P
N
E
-
E
-
A
-
D
A
L
--
Y
L
I
E
E
L
A
K
R
G
I
A
Y
L
-
H
M
S
E
T
----
G
KP
Y
S
E
A
F
R
Q
K
V
R
E
R
F
H
G
V
I
I
G
A
G
A
Y
T
A
E
K
-
A
E
D
L
I
G
K
G
L
I
D
A
V
A
F
G
R
D
Y
I
A
N
P
D
L
V
A
R
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
53.98
31%
-51
- C4 -
3KFT
3
?
B:
[5-336]
-------
L
F
T
P
L
K
V
G
A
V
T
A
P
N
R
V
F
M
A
P
L
-
T
R
L
R
S
-
I
E
P
G
D
I
P
T
P
L
M
G
E
Y
Y
R
Q
R
A
S
--
A
G
L
I
I
S
E
A
T
Q
I
S
A
Q
A
-
K
G
Y
-
A
G
-
A
P
G
L
H
--
S
P
E
Q
I
A
A
W
K
K
I
T
A
G
V
H
A
E
D
G
R
I
A
V
Q
L
W
H
T
G
R
I
S
H
S
S
I
Q
P
G
--
G
Q
A
P
V
S
A
S
A
L
N
A
NTRTSLRDENGNAI
R
---
V
-
D
T
T
T
P
---
R
A
L
E
L
D
E
I
P
G
I
V
N
D
F
R
Q
A
V
A
N
A
R
E
A
G
F
D
L
V
E
L
H
S
A
H
G
Y
-
L
-
L
H
Q
F
L
S
P
S
S
N
Q
R
T
D
Q
Y
G
G
S
V
E
N
R
A
R
L
V
L
E
V
V
D
A
V
C
N
E
-----------
W
S
A
D
R
I
G
-
I
R
V
S
-----
P
I
-
G
T
F
Q
N
V
D
N
G
P
N
E
-
E
-
A
-
D
A
L
--
Y
L
IE
E
L
A
K
R
G
I
A
Y
L
-
H
M
S
E
T
D
----KP
Y
S
E
A
F
R
Q
K
V
R
E
R
F
H
G
V
I
I
G
A
G
A
Y
T
A
E
K
-
A
E
D
L
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K
G
L
I
D
A
V
A
F
G
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D
Y
I
A
N
P
D
L
V
A
R
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------